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Analogs

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Popular Name: (E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-[(E)-2H-phthalazin-1-ylideneamino]prop-2-enamide (E)-3-[4-(3-methylbut-2-enoxy)ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.47 10.12 -13.24 2 6 0 76 374.444 7 ↓
Mid Mid (pH 6-8) 4.47 10.25 -38.03 3 6 1 77 375.452 7 ↓

Analogs

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Popular Name: (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-N-[(E)-2H-phthalazin-1-ylideneamino]prop-2-enami (E)-3-[4-[(2E)-3,7-dimethylocta-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.31 13.62 -13.32 2 6 0 76 442.563 10 ↓
Mid Mid (pH 6-8) 6.31 13.77 -38.08 3 6 1 77 443.571 10 ↓

Analogs

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Popular Name: (E)-3-(4-methoxyphenyl)-N-[(E)-2H-phthalazin-1-ylideneamino]prop-2-enamide (E)-3-(4-methoxyphenyl)-N-[(E)-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.79 7.15 -13.29 2 6 0 76 320.352 5 ↓
Mid Mid (pH 6-8) 2.79 7.3 -38.05 3 6 1 77 321.36 5 ↓

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Popular Name: (E)-N-[(Z)-2H-phthalazin-1-ylideneamino]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide (E)-N-[(Z)-2H-phthalazin-1-ylide…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.70 7.65 -12.53 2 6 0 76 374.322 6 ↓
Mid Mid (pH 6-8) 3.70 7.8 -38.86 3 6 1 77 375.33 6 ↓

Parameters Provided:

ring.id = 471256
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 471256 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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